Geometry & MOs

Info

ID:	241228
PubChem CID:	96022147
Reduced:	SF2N2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	293.078283
ΔH_f, kcal/mol:	-39.56
Dipole, Da:	6.49
IP(EA), eV:	-8.61(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2-chlorophenyl)methyl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)C3=CC=CNC3=S

DOS

IR

Vibrations